Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11077678 | 1.00 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL963055 | 0.83 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL963057 | 0.83 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31176847 | 0.82 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11080502 | 0.81 | TBXAS1 (0.53) | ALDH1A1KMT2ANPC1RAB9AALOX5 | |
| SCHEMBL11080507 | 0.81 | TBXAS1 (0.53) | ALDH1A1KMT2ANPC1RAB9AALOX5 | |
| SCHEMBL15186860 | 0.79 | XDH (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11462748 | 0.78 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11462749 | 0.78 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6335130 | 0.77 | CA12 (0.50) | CA12CA1CA2CA7CA9 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0039989-B1 | PYRIMIDONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1984-08-29 | — | — | EP | disclosed |
| US-4388317-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1983-06-14 | — | — | US | disclosed |
| EP-0039989-A1 | Pyrimidone derivatives, processes for their preparation and pharmaceutical compositions containing them | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1981-11-18 | — | — | EP | disclosed |